tert-butyl 4-(1-but-2-ynyl-4-methanoyl-5-methylsulfanylcarbonyl-imidazol-2-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(1-but-2-ynyl-4-methanoyl-5-methylsulfanylcarbonyl-imidazol-2-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(1-but-2-ynyl-4-formyl-5-methylsulfanylcarbonyl-imidazol-2-yl)piperazine-1-carboxylate CAS Name: 4-[1-but-2-ynyl-4-formyl-5-[(methylthio)-oxomethyl]-2-imidazolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-but-2-ynyl-4-formyl-5-methylsulfanylcarbonylimidazol-2-yl)piperazine-1-carboxylate Traditional Name: 4-[1-but-2-ynyl-4-formyl-5-(methylthio)carbonyl-imidazol-2-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H26N4O4S MolecularWeight: 406.49914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C(=C(N=C1N2CCN(CC2)C(=O)OC(C)(C)C)C=O)C(=O)SC

Isomeric SMILES

CC#CCN1C(=C(N=C1N2CCN(CC2)C(=O)OC(C)(C)C)C=O)C(=O)SC

InChI

InChI=1S/C19H26N4O4S/c1-6-7-8-23-15(16(25)28-5)14(13-24)20-17(23)21-9-11-22(12-10-21)18(26)27-19(2,3)4/h13H,8-12H2,1-5H3